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Role of sulfur vacancies in MoS(2) monolayers in stabilizing Co atoms for efficient CO oxidation

By performing first-principles calculations, a MoS(2) monolayer with a Co atom doped at the sulfur defect (Co-(S)MoS(2)) was investigated as a single-atom catalyst (SAC) for CO oxidation. The Co atom is strongly constrained at the S-vacancy site of MoS(2) without forming clusters by showing a high d...

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Detalles Bibliográficos
Autores principales:	Li, Manman, Li, Tianchun, Jing, Yu
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9635436/ https://www.ncbi.nlm.nih.gov/pubmed/36380960 http://dx.doi.org/10.1039/d2ra06261e

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